ITMN 4077

ITMN 4077 is a macrocyclic inhibitor against Hepatitis C Virus (HCV) NS3 protease (EC50: 2131 nM) [1][2].

Product Specifications

CAS Number

[790305-05-4]

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

HCV Protease

Type

Reference compound

Related Pathways

Anti-infection; Metabolic Enzyme/Protease

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/itmn-4077.html

Purity

99.65

Solubility

DMSO : ≥ 100 mg/mL

Smiles

O=C(N1)[C@@H]2C[C@@H](O)CN2C([C@@H](NC(OC(C)(C)C)=O)CCCCC/C=C\[C@H](C3)[C@]13C(NS(C4CC4)(=O)=O)=O)=O

Molecular Formula

C26H40N4O8S

Molecular Weight

568.68

Precautions

H302, H315, H319, H335

References & Citations

[1]Rajagopalan R, et al. Inhibition and binding kinetics of the hepatitis C virus NS3 protease inhibitor ITMN-191 reveals tight binding and slow dissociative behavior. Biochemistry. 2009 Mar 24;48 (11) :2559-68. |[2]Jiang Y, et al. Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease. J Med Chem. 2014 Mar 13;57 (5) :1753-69.